4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid

C13H23N3O5 — CID 115292897

IUPAC4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOCC1)N1CCN(CCO)CC1
InChIInChI=1S/C13H23N3O5/c17-8-7-15-3-5-16(6-4-15)12(20)14-13(11(18)19)1-9-21-10-2-13/h17H,1-10H2,(H,14,20)(H,18,19)
InChIKeyKWXOZONTJRBHGP-UHFFFAOYSA-N
MW301.34 g/mol
LogP-1.06
Rot. Bonds4

About 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid

4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid (PubChem CID 115292897) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid
PubChem CID115292897
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOCC1)N1CCN(CCO)CC1
InChIInChI=1S/C13H23N3O5/c17-8-7-15-3-5-16(6-4-15)12(20)14-13(11(18)19)1-9-21-10-2-13/h17H,1-10H2,(H,14,20)(H,18,19)
InChIKeyKWXOZONTJRBHGP-UHFFFAOYSA-N
XLogP-1.06
TPSA102.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(morpholine-4-carbonylamino)cyclopropane-1-carboxylic acid
CID 65451097
4-[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 114799059
4-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293203
4-(3,6-dihydro-2H-pyridine-1-carbonylamino)oxane-4-carboxylic acid
CID 114411540
4-[(4-methylazepane-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115293181
4-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115292816
4-methyl-1-(morpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 61186956
4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115292892
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]oxane-4-carboxylic acid
CID 115293156
1-[[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81156236
3-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 106836803
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]oxane-4-carboxylic acid
CID 115292950

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid (CID 115292897) is 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid is O=C(NC1(C(=O)O)CCOCC1)N1CCN(CCO)CC1.
What is the InChIKey of 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid?
The InChIKey is KWXOZONTJRBHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c17-8-7-15-3-5-16(6-4-15)12(20)14-13(11(18)19)1-9-21-10-2-13/h17H,1-10H2,(H,14,20)(H,18,19).
What are the key properties of 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid?
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of -1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115292897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).